N-[5-(2,2,4-trimethylpentan-3-yl)-1,3,4-oxadiazol-2-yl]acetamide

C12H21N3O2 — CID 58124396

IUPACN-[5-(2,2,4-trimethylpentan-3-yl)-1,3,4-oxadiazol-2-yl]acetamide
SMILESCC(=O)Nc1nnc(C(C(C)C)C(C)(C)C)o1
InChIInChI=1S/C12H21N3O2/c1-7(2)9(12(4,5)6)10-14-15-11(17-10)13-8(3)16/h7,9H,1-6H3,(H,13,15,16)
InChIKeyFEFWNNLFPOPXKW-UHFFFAOYSA-N
MW239.32 g/mol
LogP2.81
Rot. Bonds3

About N-[5-(2,2,4-trimethylpentan-3-yl)-1,3,4-oxadiazol-2-yl]acetamide

N-[5-(2,2,4-trimethylpentan-3-yl)-1,3,4-oxadiazol-2-yl]acetamide (PubChem CID 58124396) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is N-[5-(2,2,4-trimethylpentan-3-yl)-1,3,4-oxadiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-(2,2,4-trimethylpentan-3-yl)-1,3,4-oxadiazol-2-yl]acetamide
PubChem CID58124396
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC NameN-[5-(2,2,4-trimethylpentan-3-yl)-1,3,4-oxadiazol-2-yl]acetamide
SMILESCC(=O)Nc1nnc(C(C(C)C)C(C)(C)C)o1
InChIInChI=1S/C12H21N3O2/c1-7(2)9(12(4,5)6)10-14-15-11(17-10)13-8(3)16/h7,9H,1-6H3,(H,13,15,16)
InChIKeyFEFWNNLFPOPXKW-UHFFFAOYSA-N
XLogP2.81
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-(2,2,4-trimethylpentan-3-yl)-1,3,4-oxadiazol-2-yl]acetamide?
The IUPAC name of N-[5-(2,2,4-trimethylpentan-3-yl)-1,3,4-oxadiazol-2-yl]acetamide (CID 58124396) is N-[5-(2,2,4-trimethylpentan-3-yl)-1,3,4-oxadiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-(2,2,4-trimethylpentan-3-yl)-1,3,4-oxadiazol-2-yl]acetamide?
The canonical SMILES for N-[5-(2,2,4-trimethylpentan-3-yl)-1,3,4-oxadiazol-2-yl]acetamide is CC(=O)Nc1nnc(C(C(C)C)C(C)(C)C)o1.
What is the InChIKey of N-[5-(2,2,4-trimethylpentan-3-yl)-1,3,4-oxadiazol-2-yl]acetamide?
The InChIKey is FEFWNNLFPOPXKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-7(2)9(12(4,5)6)10-14-15-11(17-10)13-8(3)16/h7,9H,1-6H3,(H,13,15,16).
What are the key properties of N-[5-(2,2,4-trimethylpentan-3-yl)-1,3,4-oxadiazol-2-yl]acetamide?
N-[5-(2,2,4-trimethylpentan-3-yl)-1,3,4-oxadiazol-2-yl]acetamide has a molecular weight of 239.32 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,2,4-trimethylpentan-3-yl)-1,3,4-oxadiazol-2-yl]acetamide is sourced from PubChem (CID 58124396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).